42607471
  -OEChem-05302104312D

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    6.5010   -7.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
42607471

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
501

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
24

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6OAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCCAACBThgAYCAABABxCAQCBCAIAACAAgIAAICIAAAAgDEAIAAQAAAAABkAALAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoethyl [(2R)-2-hydroxy-3-[(1Z,12Z)-nonadeca-1,12-dienoxy]propyl] hydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoethyl [(2R)-2-hydroxy-3-[(1Z,12Z)-nonadeca-1,12-dienoxy]propyl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-aminoethyl [(2<I>R</I>)-2-hydroxy-3-[(1<I>Z</I>,12<I>Z</I>)-nonadeca-1,12-dienoxy]propyl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
2-aminoethyl [(2R)-2-hydroxy-3-[(1Z,12Z)-nonadeca-1,12-dienoxy]propyl] hydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylethyl [(2R)-3-[(1Z,12Z)-nonadeca-1,12-dienoxy]-2-oxidanyl-propyl] hydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoethyl [(2R)-2-hydroxy-3-[(1Z,12Z)-nonadeca-1,12-dienoxy]propyl] hydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H48NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25/h7-8,18,20,24,26H,2-6,9-17,19,21-23,25H2,1H3,(H,27,28)/b8-7-,20-18-/t24-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QKXTUVCRMVYDML-IPCSYXIDSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
477.32192525

> <PUBCHEM_MOLECULAR_FORMULA>
C24H48NO6P

> <PUBCHEM_MOLECULAR_WEIGHT>
477.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCC=CCCCCCCCCCC=COCC(COP(=O)(O)OCCN)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC/C=C\CCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)O

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
477.32192525

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
29  4  6

$$$$
